SCHEMBL16859932

SCHEMBL16859932

Cc1ccc(C(c2ccc(C)cc2)P(=O)(O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 7/20 0.58
CA12 O43570 2/20 0.50
CA1 P00915 1/20 0.50
MMP8 P22894 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
PGK1 P00558 2/20 0.44
PGK2 P07205 2/20 0.44
MMP2 P08253 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16859931 0.92 ACP3 (0.71) ACP3CA12CA1MMP8LMNA
SCHEMBL1552133 0.81 SRC (0.60) ACP3CA12CA1MMP8LMNA
SCHEMBL11080198 0.79 PGK1 (0.59) CA12CA1MMP8LMNATSHR
SCHEMBL3883015 0.79 CA12 (0.48) ACP3CA12CA1MMP8LMNA
SCHEMBL5743524 0.79 PGK1 (0.59) CA12CA1MMP8LMNATSHR
SCHEMBL10454829 0.78 ACP3 (0.59) ACP3CA12CA1LMNAPGK1
SCHEMBL22652869 0.77 PTPRC (0.49) ACP3CA12CA1MMP8LMNA
SCHEMBL11300677 0.77 PGK1 (0.78) CA12CA1MMP8LMNATSHR
SCHEMBL16931008 0.76 ACP3 (0.57) ACP3PGK1PGK2
SCHEMBL19638012 0.76 ACP3 (0.58) ACP3CA12MMP8LMNAPGK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed